Geometry & MOs

Info

ID:	414546
PubChem CID:	135087505
Reduced:	N2O4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	305.119798
ΔH_f, kcal/mol:	-114.51
Dipole, Da:	8.02
IP(EA), eV:	-9.14(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[[2-hydroxyethyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]methyl]thiophen-3-yl]prop-2-yn-1-ol

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)OC2CN(C2)C(=O)C3CCC(=O)N(C3)CC=C

DOS

IR

Vibrations